@MOLECULE 8-methyl-8,15-diazahexacyclo[14.2.1.0~1,9~.0~2,7~.0~10,15~.0~12,17~]nonadeca-2,4,6-triene-14,18-diol 44 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3194 -2.8830 -0.3941 O.3 1 UNL1111111111 -0.5482 2 C 0.2241 -1.6450 -0.8012 C.3 1 UNL1111111111 0.1358 3 C -0.5709 -0.5652 -0.0393 C.3 1 UNL1111111111 0.0123 4 C 0.0408 -0.6192 1.3743 C.3 1 UNL1111111111 -0.2926 5 C -2.0571 -0.5075 0.0512 C.ar 1 UNL1111111111 -0.1116 6 C -2.9950 -1.5009 0.1978 C.ar 1 UNL1111111111 -0.0841 7 C -4.3387 -1.1298 0.3709 C.ar 1 UNL1111111111 -0.2128 8 C -4.7050 0.2094 0.4111 C.ar 1 UNL1111111111 -0.0977 9 C -2.4355 0.8691 0.0710 C.ar 1 UNL1111111111 0.1718 10 C -3.7596 1.2333 0.2577 C.ar 1 UNL1111111111 -0.2537 11 C 1.6774 -1.4804 -0.2624 C.3 1 UNL1111111111 -0.2303 12 C 2.6285 -0.7342 -1.2247 C.3 1 UNL1111111111 -0.0931 13 C 3.8613 -0.2713 -0.4170 C.3 1 UNL1111111111 -0.3523 14 C 1.5313 -0.5933 1.0332 C.3 1 UNL1111111111 0.0523 15 N 1.8979 0.8127 0.7134 N.3 1 UNL1111111111 -0.4721 16 C 3.3768 0.8622 0.5244 C.3 1 UNL1111111111 0.3012 17 O 3.9829 0.6192 1.7726 O.3 1 UNL1111111111 -0.5802 18 C 1.2324 1.2416 -0.5537 C.3 1 UNL1111111111 0.0506 19 C 1.9623 0.5529 -1.7582 C.3 1 UNL1111111111 -0.3519 20 C -0.2557 0.8345 -0.6872 C.3 1 UNL1111111111 -0.0045 21 N -1.2893 1.7121 -0.0486 N.pl3 1 UNL1111111111 -0.3891 22 C -1.4890 3.0070 -0.7065 C.3 1 UNL1111111111 -0.2593 23 H 0.1920 -3.6258 -0.7683 H 1 UNL1111111111 0.3124 24 H 0.1428 -1.5750 -1.8998 H 1 UNL1111111111 0.1183 25 H -0.2573 -1.5380 1.9041 H 1 UNL1111111111 0.1616 26 H -0.2666 0.2397 1.9977 H 1 UNL1111111111 0.1785 27 H -2.6987 -2.5503 0.1800 H 1 UNL1111111111 0.1717 28 H -5.0932 -1.9040 0.4789 H 1 UNL1111111111 0.1508 29 H -5.7500 0.4782 0.5604 H 1 UNL1111111111 0.1439 30 H -4.0644 2.2720 0.2902 H 1 UNL1111111111 0.1568 31 H 2.0953 -2.4687 0.0017 H 1 UNL1111111111 0.1491 32 H 2.9307 -1.3943 -2.0607 H 1 UNL1111111111 0.1358 33 H 4.2934 -1.0976 0.1768 H 1 UNL1111111111 0.1701 34 H 4.6687 0.0805 -1.0750 H 1 UNL1111111111 0.1466 35 H 2.1694 -0.9630 1.8630 H 1 UNL1111111111 0.1536 36 H 3.6851 1.8780 0.1919 H 1 UNL1111111111 0.1218 37 H 3.4737 1.0489 2.4950 H 1 UNL1111111111 0.3395 38 H 1.3219 2.3520 -0.6028 H 1 UNL1111111111 0.1477 39 H 1.2763 0.3292 -2.5889 H 1 UNL1111111111 0.1452 40 H 2.7166 1.2321 -2.1881 H 1 UNL1111111111 0.1475 41 H -0.4848 0.7769 -1.7883 H 1 UNL1111111111 0.1271 42 H -1.8652 2.9350 -1.7389 H 1 UNL1111111111 0.1265 43 H -2.2070 3.6022 -0.1134 H 1 UNL1111111111 0.1555 44 H -0.5346 3.5613 -0.7110 H 1 UNL1111111111 0.1501 @BOND 1 1 2 1 2 1 23 1 3 2 3 1 4 2 11 1 5 2 24 1 6 3 4 1 7 3 5 1 8 3 20 1 9 4 14 1 10 4 25 1 11 4 26 1 12 5 6 ar 13 5 9 ar 14 6 7 ar 15 6 27 1 16 7 8 ar 17 7 28 1 18 8 10 ar 19 8 29 1 20 9 10 ar 21 9 21 1 22 10 30 1 23 11 12 1 24 11 14 1 25 11 31 1 26 12 13 1 27 12 19 1 28 12 32 1 29 13 16 1 30 13 33 1 31 13 34 1 32 14 15 1 33 14 35 1 34 15 16 1 35 15 18 1 36 16 17 1 37 16 36 1 38 17 37 1 39 18 19 1 40 18 20 1 41 18 38 1 42 19 39 1 43 19 40 1 44 20 21 1 45 20 41 1 46 21 22 1 47 22 42 1 48 22 43 1 49 22 44 1